1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol

C14H20O2 — CID 79446143

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)C1CCOc2ccccc21
InChIInChI=1S/C14H20O2/c1-3-10(2)14(15)12-8-9-16-13-7-5-4-6-11(12)13/h4-7,10,12,14-15H,3,8-9H2,1-2H3
InChIKeyJGHHJAOORHRTTL-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.96
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol

1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol (PubChem CID 79446143) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
PubChem CID79446143
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)C1CCOc2ccccc21
InChIInChI=1S/C14H20O2/c1-3-10(2)14(15)12-8-9-16-13-7-5-4-6-11(12)13/h4-7,10,12,14-15H,3,8-9H2,1-2H3
InChIKeyJGHHJAOORHRTTL-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
(4S)-4-[(1R)-1-nitroethyl]-3,4-dihydro-2H-chromene
CID 57342248
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine
CID 107893468
(4S)-4-[(1R)-1-nitropropyl]-3,4-dihydro-2H-chromene
CID 57342249
[1-(3,4-dihydro-2H-chromen-4-yl)-2-ethylbutyl]hydrazine
CID 105233719
3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol
CID 63709198
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
CID 65410168
1-(3,4-dihydro-2H-chromen-4-yl)but-3-yn-1-ol
CID 65411928
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol (CID 79446143) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol is CCC(C)C(O)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol?
The InChIKey is JGHHJAOORHRTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-10(2)14(15)12-8-9-16-13-7-5-4-6-11(12)13/h4-7,10,12,14-15H,3,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol?
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 79446143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).